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Title: Materials Data on CsTb(MoO4)2 by Materials Project

Abstract

CsTb(MoO4)2 crystallizes in the orthorhombic Pccm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (3.21 Å) and four longer (3.45 Å) Cs–O bond lengths. Tb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.29 Å) and four longer (2.55 Å) Tb–O bond lengths. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.76–1.85 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Tb3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cs1+, one Tb3+, and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Mo6+ atom.

Publication Date:
Other Number(s):
mp-1213293
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CsTb(MoO4)2; Cs-Mo-O-Tb
OSTI Identifier:
1752820
DOI:
https://doi.org/10.17188/1752820

Citation Formats

The Materials Project. Materials Data on CsTb(MoO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1752820.
The Materials Project. Materials Data on CsTb(MoO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1752820
The Materials Project. 2020. "Materials Data on CsTb(MoO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1752820. https://www.osti.gov/servlets/purl/1752820. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1752820,
title = {Materials Data on CsTb(MoO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CsTb(MoO4)2 crystallizes in the orthorhombic Pccm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (3.21 Å) and four longer (3.45 Å) Cs–O bond lengths. Tb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.29 Å) and four longer (2.55 Å) Tb–O bond lengths. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.76–1.85 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Tb3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cs1+, one Tb3+, and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Mo6+ atom.},
doi = {10.17188/1752820},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}